TDR Targets

Basic information

Technical information

TDR Targets ID: 1221763
Name: 2-phenyl-N-(2,2,2-trichloro-1-diethoxyphospho rylethyl)acetamide
MW: 402.638 | Formula: C14H19Cl3NO4P
H donors: 1 H acceptors: 2 LogP: 3.13 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCOP(=O)(C(C(Cl)(Cl)Cl)NC(=O)Cc1ccccc1)OCC
InChi: 1S/C14H19Cl3NO4P/c1-3-21-23(20,22-4-2)13(14(15,16)17)18-12(19)10-11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3,(H,18,19)
InChiKey: RIGSARLPHOOQCX-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

2-phenyl-N-(2,2,2-trichloro-1-diethoxyphosphoryl-ethyl)acetamide
2-phenyl-N-(2,2,2-trichloro-1-diethoxyphosphoryl-ethyl)ethanamide
MLS000420237
SMR000322808

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references
Homo sapiens	glucosidase, alpha	Starlite/ChEMBL	No references
Homo sapiens	apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Onchocerca volvulus		Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma japonicum	Lysosomal alpha-glucosidase precursor, putative	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus granulosus	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Brugia malayi	Glycosyl hydrolases family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma japonicum	ko:K01187 alpha-glucosidase [EC3.2.1.20], putative	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0247	0.4426	1
Brugia malayi	Pre-SET motif family protein	0.0447	0.8686	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0044	0.0124	0.0351
Echinococcus multilocularis	lysine specific demethylase 5A	0.0076	0.0789	0.2231
Trypanosoma brucei	hypothetical protein, conserved	0.0445	0.8648	1
Mycobacterium tuberculosis	Conserved protein	0.0051	0.0269	0.0608
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0044	0.0108	0.0108
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0047	0.0189	0.3481
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0149	0.0422
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0062	0.0509	0.166
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0205	0.3535	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0108	0.0108
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0197	0.3366	0.9523
Trypanosoma cruzi	hypothetical protein, conserved	0.0445	0.8648	1
Loa Loa (eye worm)	hypothetical protein	0.0107	0.1459	0.168
Loa Loa (eye worm)	acetyltransferase	0.0161	0.2614	0.3009
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0064	0.0542	0.177
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0062	0.0492	0.1393
Echinococcus granulosus	lysine specific demethylase 5A	0.0076	0.0789	0.2231
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0044	0.0108	0.0108
Echinococcus granulosus	jumonji domain containing protein	0.0087	0.103	0.2913
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0043	0.0103	0.0103
Schistosoma mansoni	hypothetical protein	0.0169	0.2774	0.9053
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0064	0.0542	0.177
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0447	0.8686	1
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0161	0.2614	0.8529
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0064	0.0542	0.1535
Loa Loa (eye worm)	hypothetical protein	0.0182	0.3062	0.3525
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0111	0.1544	0.3489
Brugia malayi	Pre-SET motif family protein	0.0064	0.0542	0.0625
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0044	0.0108	0.0108
Brugia malayi	uridine phosphorylase family protein	0.0183	0.3064	0.3528
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.01	0.1307	0.2952
Echinococcus multilocularis	peregrin	0.0066	0.0593	0.1677
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0149	0.0487
Schistosoma mansoni	alpha glucosidase	0.0044	0.0108	0.0352
Brugia malayi	jmjC domain containing protein	0.0205	0.3535	0.4069
Echinococcus granulosus	geminin	0.0169	0.2774	0.7848
Mycobacterium leprae	probable uridine phosphorylase	0.0183	0.3064	1
Echinococcus granulosus	neutral alpha glucosidase AB	0.0044	0.0108	0.0305
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.01	0.1307	0.4264
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0044	0.0108	0.0124
Loa Loa (eye worm)	glutathione reductase	0.0044	0.0112	0.0128
Brugia malayi	hypothetical protein	0.0182	0.3062	0.3525
Plasmodium falciparum	phd finger protein, putative	0.0062	0.0509	1
Mycobacterium tuberculosis	Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase)	0.0051	0.0269	0.0608
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.0103	0.0103
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0149	0.0422
Plasmodium falciparum	thioredoxin reductase	0.0044	0.0112	0.017
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0149	0.0422
Leishmania major	hypothetical protein, conserved	0.0445	0.8648	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0108	0.0108
Trypanosoma brucei	trypanothione reductase	0.0044	0.0112	0.0129
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0047	0.0189	0.0189
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0076	0.0789	0.2573
Brugia malayi	jmjC domain containing protein	0.0076	0.0789	0.0908
Loa Loa (eye worm)	jmjC domain-containing protein	0.0076	0.0789	0.0908
Echinococcus granulosus	L aminoadipate semialdehyde	0.0089	0.1075	0.3042
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0076	0.0793	0.2588
Echinococcus multilocularis	uridine phosphorylase 1	0.0183	0.3064	0.8669
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.01	0.1307	0.2952
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0076	0.0789	0.2573
Mycobacterium tuberculosis	Probable reductase	0.01	0.1307	0.2952
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0044	0.0108	1
Schistosoma mansoni	uridine phosphorylase	0.0183	0.3064	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0108	0.0108
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0089	0.1075	0.1238
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0108	0.0108
Trichomonas vaginalis	set domain proteins, putative	0.0508	1	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0129	0.1925	0.2216
Onchocerca volvulus		0.0076	0.0793	0.0793
Schistosoma mansoni	uridine phosphorylase	0.0183	0.3064	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0111	0.1544	0.3489
Loa Loa (eye worm)	uridine phosphorylase	0.0183	0.3064	0.3528
Leishmania major	trypanothione reductase	0.0044	0.0112	0.0129
Leishmania major	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0051	0.0269	0.0311
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0037	0.0037
Schistosoma mansoni	hypothetical protein	0.0169	0.2774	0.9053
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0051	0.0269	0.0311
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0064	0.0542	0.1535
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0111	0.1544	0.3489
Loa Loa (eye worm)	PHD-finger family protein	0.0062	0.0509	0.0586
Brugia malayi	Heterochromatin protein 1	0.0072	0.071	0.0818
Echinococcus granulosus	chromobox protein 1	0.0072	0.071	0.201
Schistosoma mansoni	chromobox protein	0.0072	0.071	0.2319
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0047	0.0189	0.0189
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0108	0.0108
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0149	0.0487
Plasmodium vivax	hypothetical protein, conserved	0.0062	0.0509	0.9378
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0047	0.0189	0.3481
Brugia malayi	acetyltransferase, GNAT family protein	0.0161	0.2614	0.3009
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0089	0.1075	0.3042
Trypanosoma cruzi	trypanothione reductase, putative	0.0044	0.0112	0.0129
Loa Loa (eye worm)	hypothetical protein	0.004	0.0037	0.0043
Schistosoma mansoni	chromobox protein	0.0072	0.071	0.2319
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0051	0.0269	0.0311
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.01	0.1307	0.2952
Toxoplasma gondii	thioredoxin reductase	0.0044	0.0112	0.2056
Echinococcus granulosus	lysosomal alpha glucosidase	0.0197	0.3366	0.9523
Mycobacterium ulcerans	hypothetical protein	0.0051	0.0269	1
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.0103	0.0103
Schistosoma mansoni	alpha-glucosidase	0.0169	0.2783	0.9082
Echinococcus granulosus	histone lysine methyltransferase setb	0.0064	0.0542	0.1535
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0044	0.0108	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.004	0.0037	0.0037
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0161	0.2614	0.7394
Echinococcus multilocularis	chromobox protein 1	0.0072	0.071	0.201
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0044	0.0112	0.0252
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0149	0.0487
Loa Loa (eye worm)	heterochromatin protein 1	0.0072	0.071	0.0818
Trypanosoma brucei	glucosidase, putative	0.0044	0.0108	0.0125
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.0051	0.0269	1
Echinococcus multilocularis	chromobox protein 1	0.0072	0.071	0.201
Onchocerca volvulus		0.0114	0.1601	0.1601
Brugia malayi	glutathione reductase	0.0044	0.0112	0.0128
Echinococcus granulosus	peregrin	0.0066	0.0593	0.1677
Onchocerca volvulus	Alhambra homolog	0.0062	0.0509	0.0509
Plasmodium vivax	glutathione reductase, putative	0.0044	0.0112	0.2056
Echinococcus granulosus	PHD finger protein rhinoceros	0.0062	0.0509	0.1439
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0044	0.0108	0.0124
Echinococcus granulosus	uridine phosphorylase 1	0.0183	0.3064	0.8669
Toxoplasma gondii	PHD-finger domain-containing protein	0.0062	0.0509	0.9378
Schistosoma mansoni	hypothetical protein	0.0062	0.0509	0.166
Trypanosoma cruzi	hypothetical protein, conserved	0.0445	0.8648	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.01	0.1307	0.2952
Leishmania major	alpha glucosidase II subunit, putative	0.0044	0.0108	0.0125
Schistosoma mansoni	jumonji domain containing protein	0.0163	0.2639	0.8613
Brugia malayi	Thioredoxin reductase	0.0044	0.0112	0.0128
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0064	0.0542	0.177
Plasmodium falciparum	glutathione reductase	0.0044	0.0112	0.017
Echinococcus multilocularis	citrate lyase subunit beta protein	0.0051	0.0269	0.0762
Trichomonas vaginalis	chromobox protein, putative	0.0072	0.071	0.071
Onchocerca volvulus		0.0089	0.1075	0.1075
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.01	0.1307	0.2952
Trichomonas vaginalis	Citrate lyase beta chain, putative	0.0051	0.0269	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0542	0.0625
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0149	0.0422
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0197	0.3366	0.3875
Brugia malayi	chromobox protein homolog 3	0.004	0.0037	0.0043
Loa Loa (eye worm)	thioredoxin reductase	0.0044	0.0112	0.0128
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0111	0.1544	0.5039
Giardia lamblia	PHD finger protein 15	0.0062	0.0509	1
Echinococcus granulosus	citrate lyase subunit beta protein	0.0051	0.0269	0.0762
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0205	0.3535	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0149	0.0172
Toxoplasma gondii	PHD-finger domain-containing protein	0.0062	0.0509	0.9378
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0044	0.0108	0.0108
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0047	0.0189	0.0534
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0044	0.0108	0.1989
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0047	0.0189	0.3481
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0044	0.0108	0.0305
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0157	0.2517	0.7122
Mycobacterium ulcerans	hypothetical protein	0.0051	0.0269	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0064	0.0542	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.1075	0.1238
Schistosoma mansoni	alpha-glucosidase	0.0169	0.2783	0.9082
Trypanosoma cruzi	hypothetical protein, conserved	0.0044	0.0108	0.0125
Plasmodium vivax	thioredoxin reductase, putative	0.0044	0.0112	0.2056
Trichomonas vaginalis	chromobox protein, putative	0.0072	0.071	0.071
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.0051	0.0269	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0044	0.0124	0.0351
Echinococcus granulosus	chromobox protein 1	0.0072	0.071	0.201
Trypanosoma cruzi	hypothetical protein, conserved	0.0044	0.0108	0.0125
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0089	0.1075	0.3509
Mycobacterium ulcerans	citrate lyase beta subunit, CitE_2	0.0051	0.0269	1
Echinococcus multilocularis	geminin	0.0169	0.2774	0.7848
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0197	0.3366	0.3875
Brugia malayi	PHD-finger family protein	0.0062	0.0509	0.0586
Onchocerca volvulus		0.0182	0.3062	0.3062
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0509	0.0586
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0149	0.0172
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0037	0.0037
Brugia malayi	Bromodomain containing protein	0.0066	0.0593	0.0683
Plasmodium vivax	SET domain protein, putative	0.0064	0.0542	1
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0062	0.0509	0.1439
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0197	0.3366	0.9523
Echinococcus multilocularis	jumonji domain containing protein	0.0087	0.103	0.2913

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.5623 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	1.1689 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	3.5481 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 7.0795 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ]	ChEMBL.	No reference
Potency (functional)	= 7.0795 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1366184

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1221763